2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide

C17H26N2O3S — CID 2988556

IUPAC2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
SMILESCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-19(23(21,22)16-12-8-5-9-13-16)14-17(20)18-15-10-6-3-2-4-7-11-15/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,18,20)
InChIKeyUOZHBKWUTLZNLH-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.54
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide

2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide (PubChem CID 2988556) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
PubChem CID2988556
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
SMILESCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-19(23(21,22)16-12-8-5-9-13-16)14-17(20)18-15-10-6-3-2-4-7-11-15/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,18,20)
InChIKeyUOZHBKWUTLZNLH-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide (CID 2988556) is 2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide is CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide?
The InChIKey is UOZHBKWUTLZNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-19(23(21,22)16-12-8-5-9-13-16)14-17(20)18-15-10-6-3-2-4-7-11-15/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide?
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide has a molecular weight of 338.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide is sourced from PubChem (CID 2988556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).